| SpectraBase Spectrum ID |
EYeVr1O8GN0 |
| Name |
4-((4-(trifluoromethyl)phenyl)sulfonyl)benzonitrile |
| Appearance |
White solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
311.022784163 u |
| Formula |
C14H8F3NO2S |
| InChI |
InChI=1S/C14H8F3NO2S/c15-14(16,17)11-3-7-13(8-4-11)21(19,20)12-5-1-10(9-18)2-6-12/h1-8H |
| InChIKey |
IZZXMNMYSOJWLO-UHFFFAOYSA-N |
| Instrument Name |
Finnigan SSQ 7000 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.201711104 |
| Molecular Weight |
311.278 g/mol |
| Quality |
112 |
| Reported Formula |
C14H8O2NSF3 |
| SMILES |
C1=CC(=CC=C1C#N)S(C1=CC=C(C=C1)C(F)(F)F)(=O)=O |
| SPLASH |
splash10-0f6x-0901000000-0d2449fbc69a8e584800 |
| Source of Spectrum |
ACI-57-SM13-6e (DOI: 10.1002/anie.201711104) |
| Wiley ID |
1891176 |
